General Information of the Compound
Compound ID |
CP0467144
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Compound Name |
CHEMBL2113215
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Formula |
C24H22N4O5S
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Molecular Weight |
478.53
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Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(C)cc1
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InChI |
InChI=1S/C24H22N4O5S/c1-16-7-9-17(10-8-16)28(34(31,32)19-13-11-18(33-2)12-14-19)15-22(29)26-27-23-20-5-3-4-6-21(20)25-24(23)30/h3-14H,15H2,1-2H3,(H,26,29)(H,25,27,30)
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InChIKey |
ZRXFNSDCBBRXNT-UHFFFAOYSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor